2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole

C15H11N7O2S — CID 173196386

IUPAC2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole
SMILESC1=C(c2ccon2)C(c2nccs2)N(c2ncc[nH]2)N1c1ncco1
InChIInChI=1S/C15H11N7O2S/c1-6-24-20-11(1)10-9-21(15-19-4-7-23-15)22(14-17-2-3-18-14)12(10)13-16-5-8-25-13/h1-9,12H,(H,17,18)
InChIKeyVDFRHEATOYKJEM-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole

2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole (PubChem CID 173196386) has the molecular formula C15H11N7O2S and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole
PubChem CID173196386
Molecular FormulaC15H11N7O2S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole
SMILESC1=C(c2ccon2)C(c2nccs2)N(c2ncc[nH]2)N1c1ncco1
InChIInChI=1S/C15H11N7O2S/c1-6-24-20-11(1)10-9-21(15-19-4-7-23-15)22(14-17-2-3-18-14)12(10)13-16-5-8-25-13/h1-9,12H,(H,17,18)
InChIKeyVDFRHEATOYKJEM-UHFFFAOYSA-N
XLogP2.87
TPSA100.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole (CID 173196386) is 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole is C1=C(c2ccon2)C(c2nccs2)N(c2ncc[nH]2)N1c1ncco1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole?
The InChIKey is VDFRHEATOYKJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O2S/c1-6-24-20-11(1)10-9-21(15-19-4-7-23-15)22(14-17-2-3-18-14)12(10)13-16-5-8-25-13/h1-9,12H,(H,17,18).
What are the key properties of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole?
2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole has a molecular weight of 353.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-thiazol-2-yl)-3H-pyrazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 173196386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).